SX-682 | CAS#1648843-04-2 | Cxcr1/2 inhibitor

SX-682
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 206806

CAS#: 1648843-04-2

Description: SX-682 is a potent and selective Cxcr1/2 inhibitor potentially useful for castration-resistant prostate cancer. CXCR1 and CXCR2 chemokine receptors and their ligands (CXCL1/2/3/7/8) play an important role in tumor progression.

Chemical Structure

SX-682

CAS# 1648843-04-2

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 206806
Name: SX-682
CAS#: 1648843-04-2
Chemical Formula: C19H14BF4N3O4S
Exact Mass: 467.07
Molecular Weight: 467.202
Elemental Analysis: C, 48.85; H, 3.02; B, 2.31; F, 16.27; N, 8.99; O, 13.70; S, 6.86

Price and Availability

Size	Price	Availability
10mg	USD 150	Ready to ship
25mg	USD 250	Ready to ship
50mg	USD 450	Ready to ship
100mg	USD 750	Ready to ship
200mg	USD 1350	Ready to ship
500mg	USD 2650	Ready to ship
1g	USD 3850	Ready to ship
2g	USD 6450	Ready to ship
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: SX-682; SX 682; SX682.

IUPAC/Chemical Name: (2-(((5-((4-fluorophenyl)carbamoyl)pyrimidin-2-yl)thio)methyl)-4-(trifluoromethoxy)phenyl)boronic acid

InChi Key: SDUDZBCEHIZMFZ-UHFFFAOYSA-N

InChi Code: InChI=1S/C19H14BF4N3O4S/c21-13-1-3-14(4-2-13)27-17(28)12-8-25-18(26-9-12)32-10-11-7-15(31-19(22,23)24)5-6-16(11)20(29)30/h1-9,29-30H,10H2,(H,27,28)

SMILES Code: O=C(C1=CN=C(SCC2=CC(OC(F)(F)F)=CC=C2B(O)O)N=C1)NC3=CC=C(F)C=C3

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Product Data:

Product Data

Certificate of Analysis:

View CoA: current batch, Lot# C22R05B14

QC Data:

View QC data: current batch, Lot# C22R05B14

Safety Data Sheet (SDS):

View Safety Data Sheet (SDS)

Instruction:

View handling instruction

Biological target:	SX-682 is a potent allosteric inhibitor of CXCR1 and CXCR2 that can block tumor myeloid-derived suppressor cells (MDSCs) recruitment and enhance T cell activation and antitumor immunity.
In vitro activity:	TBD
In vivo activity:	As SX-682 enhanced tumor infiltration of endogenous T cells in wild-type mice, it was hypothesized that inhibition of tumor PMN-MDSC infiltration could enhance tumor infiltration of adoptively transferred engineered T cells. RAG1-deficient mice bearing MOC1 or LLC tumors engineered to express OVA257–264 (SIINFEKL) were treated with adoptive transfer of ex vivo–expanded OT-I cytotoxic T lymphocytes (CTLs) with or without SX-682. Following SX-682 treatment alone, tumor accumulation of PMN-MDSCs was abrogated in both models. This reduction in PMN-MDSCs in RAG1-deficient mice correlated with enhanced tumor infiltration of adoptively transferred T cells administered 4 days after initiation of SX-682 treatment. To investigate whether this increase in TIL infiltration was biologically relevant, RAG1-deficient mice bearing SIINFEKL-positive MOC1 or LLC tumors were treated with a combination of SX-682 and OT-I adoptive cell transfer. Treatment with SX-682 chow alone induced no tumor growth inhibition, and treatment with OT-I adoptive cell transfer alone induced some degree of growth delay in both models. These data suggested that, in addition to enhancing antitumor efficacy of PD-axis immune checkpoint blockade, abrogation of PMN-MDSC tumor infiltration with SX-682 can enhance the therapeutic efficacy of adoptively transferred T cells. Reference: JCI Insight. 2019 Apr 4;4(7):e126853. https://pubmed.ncbi.nlm.nih.gov/30944253/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	171.5	367.08

Preparing Stock Solutions

The following data is based on the product molecular weight 467.20 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:	1. Greene S, Robbins Y, Mydlarz WK, Huynh AP, Schmitt NC, Friedman J, Horn LA, Palena C, Schlom J, Maeda DY, Zebala JA, Clavijo PE, Allen C. Inhibition of MDSC Trafficking with SX-682, a CXCR1/2 Inhibitor, Enhances NK-Cell Immunotherapy in Head and Neck Cancer Models. Clin Cancer Res. 2020 Mar 15;26(6):1420-1431. doi: 10.1158/1078-0432.CCR-19-2625. Epub 2019 Dec 17. PMID: 31848188; PMCID: PMC7073293. 2. Sun L, Clavijo PE, Robbins Y, Patel P, Friedman J, Greene S, Das R, Silvin C, Van Waes C, Horn LA, Schlom J, Palena C, Maeda D, Zebala J, Allen CT. Inhibiting myeloid-derived suppressor cell trafficking enhances T cell immunotherapy. JCI Insight. 2019 Apr 4;4(7):e126853. doi: 10.1172/jci.insight.126853. PMID: 30944253; PMCID: PMC6483637.
In vitro protocol:	TBD
In vivo protocol:	1. Greene S, Robbins Y, Mydlarz WK, Huynh AP, Schmitt NC, Friedman J, Horn LA, Palena C, Schlom J, Maeda DY, Zebala JA, Clavijo PE, Allen C. Inhibition of MDSC Trafficking with SX-682, a CXCR1/2 Inhibitor, Enhances NK-Cell Immunotherapy in Head and Neck Cancer Models. Clin Cancer Res. 2020 Mar 15;26(6):1420-1431. doi: 10.1158/1078-0432.CCR-19-2625. Epub 2019 Dec 17. PMID: 31848188; PMCID: PMC7073293. 2. Sun L, Clavijo PE, Robbins Y, Patel P, Friedman J, Greene S, Das R, Silvin C, Van Waes C, Horn LA, Schlom J, Palena C, Maeda D, Zebala J, Allen CT. Inhibiting myeloid-derived suppressor cell trafficking enhances T cell immunotherapy. JCI Insight. 2019 Apr 4;4(7):e126853. doi: 10.1172/jci.insight.126853. PMID: 30944253; PMCID: PMC6483637.

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1: Lu X, Horner JW, Paul E, Shang X, Troncoso P, Deng P, Jiang S, Chang Q, Spring
DJ, Sharma P, Zebala JA, Maeda DY, Wang YA, DePinho RA. Effective combinatorial
immunotherapy for castration-resistant prostate cancer. Nature. 2017 Mar 20. doi:
10.1038/nature21676. [Epub ahead of print] PubMed PMID: 28321130.

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